Target
Trans-sialidase
Ligand
BDBM50266444
Substrate
n/a
Meas. Tech.
ChEMBL_516607 (CHEMBL988694)
IC50
210000±n/a nM
Citation
 Neres, JBrewer, MLRatier, LBotti, HBuschiazzo, AEdwards, PNMortenson, PNCharlton, MHAlzari, PMFrasch, ACBryce, RADouglas, KT Discovery of novel inhibitors of Trypanosoma cruzi trans-sialidase from in silico screening. Bioorg Med Chem Lett 19:589-96 (2009) [PubMed]  Article 
Target
Name:
Trans-sialidase
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
70598.62
Organism:
Trypanosoma cruzi
Description:
Q26966
Residue:
642
Sequence:
MLAPGSSRVELFKRQSSKVPFEKDGKVTERVVHSFRLPALVNVDGVMVAIADARYETSNDNSLIDTVAKYSVDDGETWETQIAIKNSRASSVSRVVDPTVIVKGNKLYVLVGSYNSSRSYWTSHGDARDWDILLAVGEVTKSTAGGKITASIKWGSPVSLKEFFPAEMEGMHTNQFLGGAGVAIVASNGNLVYPVQVTNKKKQVFSKIFYSEDEGKTWKFGKGRSAFGCSEPVALEWEGKLIINTRVDYRRRLVYESSDMGNSWLEAVGTLSRVWGPSPKSNQPGSQSSFTAVTIEGMRVMLFTHPLNFKGRWLRDRLNLWLTDNQRIYNVGQVSIGDENSAYSSVLYKDDKLYCLHEINSNEVYSLVFARLVGELRIIKSVLQSWKNWDSHLSSICTPADPAASSSERGCGPAVTTVGLVGFLSHSATKTEWEDAYRCVNASTANAERVPNGLKFAGVGGGALWPVSQQGQNQRYRFANHAFTVVASVTIHEVPSVASPLLGASLDSSGGKKLLGLSYDERHQWQPIYGSTPVTPTGSWEMGKRYHVVLTMANKIGSEYIDGEPLEGSGQTVVPDERTPDISHFYVGGYKRSDMPTISHVTVNNVLLYNRQLNAEEIRTLFLSQDLIGTEAHMDSSSDTSA
  
Inhibitor
Name:
BDBM50266444
Synonyms:
2-(4,5-dimethyl-3-(propoxycarbonyl)thiophen-2-ylcarbamoyl)cyclohexanecarboxylate
Type:
Small organic molecule
Emp. Form.:
C18H24NO5S
Mol. Mass.:
366.452
SMILES:
CCCOC(=O)c1c(C)c(C)sc1NC(=O)C1CCCCC1C([O-])=O
Structure:
Search PDB for entries with ligand similarity: